============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 24 1.040 6.667 24.235 27.215 -99.200 -91.000 TRP6 24 1.020 8.105 25.827 26.250 -99.200 -91.000 PHE 31 1.000 8.154 20.132 33.408 -99.200 -91.000 TYR 33 0.840 17.475 16.154 28.134 -99.200 -91.000 PHE 34 1.000 16.046 21.390 34.864 -99.200 -91.000 TRP 57 1.040 13.065 30.141 44.279 -99.200 -91.000 TRP6 57 1.020 14.233 28.218 44.956 -99.200 -91.000 PHE 58 1.000 9.877 33.314 44.350 -99.200 -91.000 HIS 87 0.900 20.438 24.190 48.593 -99.200 -91.000 PHE 88 1.000 25.588 28.487 48.872 -99.200 -91.000 TRP 113 1.040 24.115 20.991 34.719 -99.200 -91.000 TRP6 113 1.020 23.686 20.487 32.459 -99.200 -91.000 TYR 121 0.840 18.767 30.043 29.607 -99.200 -91.000 HIS 127 0.900 32.649 31.829 32.160 -99.200 -91.000 HIS 130 0.900 33.601 22.585 26.848 -99.200 -91.000 PHE 134 1.000 23.982 19.427 27.680 -99.200 -91.000 PHE 142 1.000 3.420 25.713 22.692 -99.200 -91.000 PHE 147 1.000 10.177 36.034 22.753 -99.200 -91.000 PHE 148 1.000 18.873 29.986 24.655 -99.200 -91.000 TYR 156 0.840 27.426 28.845 21.386 -99.200 -91.000 TYR 162 0.840 27.105 15.548 25.566 -99.200 -91.000 TYR 177 0.840 9.589 16.631 24.414 -99.200 -91.000 PHE 179 1.000 15.173 15.359 25.126 -99.200 -91.000 TYR 182 0.840 22.653 24.082 19.066 -99.200 -91.000